SCHEMBL4386060

SCHEMBL4386060

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2ccc3[nH]cnc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
NAMPT P43490 1/20 0.39
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
GBA1 P04062 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PRCP P42785 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4383731 0.81 MEN1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4393199 0.80 LIPE (0.46) SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL4386166 0.80 PRCP (0.42) CYP2C19SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4380318 0.80 MEN1 (0.39) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4388886 0.80 SMN1; SMN2 (0.48) CYP2C19SMN1; SMN2MEN1KMT2APRCP
SCHEMBL4390246 0.80 MEN1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4387768 0.79 CYP2C19 (0.42) NAMPTCYP2C19SMN1; SMN2HDAC3HDAC4
SCHEMBL4383832 0.79 MEN1 (0.43) CYP2C19SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4385376 0.79 EGLN1 (0.38) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL4391160 0.78 KMT2A (0.55) SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 TYMS 2773/4885NAMPT 4023/4885CYP2C19 162/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.